3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide

C20H26N2O3S2 — CID 24979199

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15-5-10-19(13-16(15)2)27(24,25)21-12-11-20(23)22(3)14-17-6-8-18(26-4)9-7-17/h5-10,13,21H,11-12,14H2,1-4H3
InChIKeyZURAUNZBWJGKNX-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.35
Rot. Bonds8

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide (PubChem CID 24979199) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
PubChem CID24979199
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
SMILESCSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15-5-10-19(13-16(15)2)27(24,25)21-12-11-20(23)22(3)14-17-6-8-18(26-4)9-7-17/h5-10,13,21H,11-12,14H2,1-4H3
InChIKeyZURAUNZBWJGKNX-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide (CID 24979199) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide is CSc1ccc(CN(C)C(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
The InChIKey is ZURAUNZBWJGKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15-5-10-19(13-16(15)2)27(24,25)21-12-11-20(23)22(3)14-17-6-8-18(26-4)9-7-17/h5-10,13,21H,11-12,14H2,1-4H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide has a molecular weight of 406.57 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide is sourced from PubChem (CID 24979199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).